SCHEMBL4870376

SCHEMBL4870376

CCC(NCCCCN1CCNCCC1=O)C(C)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.41
SIGMAR1 Q99720 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR2B P41595 4/20 0.40
LMNA P02545 3/20 0.40
HTR2A P28223 3/20 0.40
MAPT P10636 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA1A P35348 2/20 0.40
DRD3 P35462 2/20 0.40
OPRK1 P41145 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
HTR2C P28335 3/20 0.36
TRPV4 Q9HBA0 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4875631 0.89 SIGMAR1 (0.42) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL4877168 0.83 SLC6A4 (0.39) SLC6A4SIGMAR1HTR2BHTR2AHTR2C
SCHEMBL4868919 0.83 TRPV1 (0.34) SIGMAR1TP53TSHRKMT2ANPC1
SCHEMBL4873710 0.81 RAB9A (0.34) SIGMAR1OPRK1OPRM1KMT2ARAB9A
SCHEMBL4870271 0.80 PARP1 (0.35) SLC6A4CYP2D6LMNASMN1; SMN2SLC6A2
SCHEMBL4872456 0.80 SMN1; SMN2 (0.39) SIGMAR1CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL6096199 0.79 SIGMAR1 (0.42) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL6095426 0.79 SIGMAR1 (0.44) SLC6A4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL4872375 0.79 POLB (0.32) TSHRCYP2C19LMNAHTR2ADRD3
SCHEMBL4870366 0.79 SLC6A4 (0.42) SLC6A4SIGMAR1HTR2BLMNAHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361648-B2 Heterocyclylakylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC (US) 2008-04-22 US disclosed
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC 2006-12-21 US disclosed
US-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 US disclosed
US-6667301-B2 Therapy for muscular disorders, urogenital disorders, gastrointestinal disorders, respiratory system disorders SYNTEX (U.S.A.) LLC 2003-12-23 US disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 SLC6A4 990/4885SIGMAR1 59/4885CYP1A2 308/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885SIGMAR1 32/4885CYP1A2 237/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885SIGMAR1 32/4885CYP1A2 237/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.